N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H21N3O3S/c1-16-6-2-4-8-20(16)29-15-22(28)27-24(31)25-14-17-10-12-18(13-11-17)23-26-19-7-3-5-9-21(19)30-23/h2-13H,14-15H2,1H3,(H2,25,27,28,31)